Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.41 |
| ▸ | DAO | P14920 | 2/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | LIG1 | P18858 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 3/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | CASP2 | P42575 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | CASP6 | P55212 | 1/20 | 0.32 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.32 |
| ▸ | TGM2 | P21980 | 2/20 | 0.31 |
| ▸ | CDC25B | P30305 | 1/20 | 0.31 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.30 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.30 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL31016527 | 0.75 | MAPT (0.53) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL10566907 | 0.75 | MAPT (0.53) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL17292541 | 0.72 | CYP11B1 (0.37) | MAOAMAOBPDE3BPDE3A | |
| SCHEMBL27215626 | 0.70 | CASP3 (0.41) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL28449989 | 0.70 | AHR (0.39) | EGFRCASP3CASP7CASP6CASP8 | |
| SCHEMBL14186800 | 0.66 | CDC25B (0.41) | CES1CASP3CASP2CASP7CASP6 | |
| SCHEMBL29898463 | 0.66 | CDC25B (0.41) | CES1CASP3CASP2CASP7CASP6 | |
| SCHEMBL13154670 | 0.66 | CHRNB2 (0.33) | EGFR | |
| SCHEMBL31712925 | 0.64 | SRC (0.33) | EGFR | |
| SCHEMBL458053 | 0.63 | CES1 (0.47) | CES1DAONSD2BCHELIG1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113499342-A | Application of pyrimidoindole diketone compound in preparing medicament for treating PDE5 disorder disease | 江苏理工学院 | 2021-10-15 | — | — | CN | claimed |
| CN-113499342-A | Application of pyrimidoindole diketone compound in preparing medicament for treating PDE5 disorder disease | 江苏理工学院 | 2021-10-15 | — | — | CN | disclosed |
| CN-113499342-A | Application of pyrimidoindole diketone compound in preparing medicament for treating PDE5 disorder disease | 江苏理工学院 | 2021-10-15 | — | — | CN | disclosed |